SCHEMBL24200119

SCHEMBL24200119

CCOC(=O)Cc1ccc(F)cc1OC(C)/C=C\C(Br)=C(\O)CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ PTGS2 P35354 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ TBXAS1 P24557 1/20 0.31
▸ CNR2 P34972 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21455436 0.80 MEN1 (0.37) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL24199970 0.79 PTGS2 (0.34) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL24200227 0.79 MEN1 (0.34) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL24200130 0.79 TBXAS1 (0.39) MEN1KMT2ANPSR1HPGDALDH1A1
SCHEMBL24200319 0.79 MEN1 (0.32) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL21455802 0.79 ALDH1A1 (0.42) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL24199932 0.78 KDM4E (0.36) MEN1KMT2AHPGDALDH1A1MAPT
SCHEMBL24200210 0.78 MEN1 (0.33) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL23617338 0.78 MEN1 (0.39) MEN1KMT2ANPSR1POLBHPGD
SCHEMBL21455828 0.77 MEN1 (0.32) MEN1KMT2ANPSR1POLBHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 — — EP disclosed
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